N-[5-[1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-[1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[1-(2-ethylphenyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[1-(2-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[1-(2-ethylphenyl)-5-keto-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C21H18N6O6S MolecularWeight: 482.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O6S/c1-2-12-5-3-4-6-17(12)25-11-14(9-18(25)28)20-23-24-21(34-20)22-19(29)13-7-15(26(30)31)10-16(8-13)27(32)33/h3-8,10,14H,2,9,11H2,1H3,(H,22,24,29)